CID 11499964

5-(3,5-diethylimidazol-4-yl)oxybenzene-1,3-dicarbonitrile

Structural Information

Molecular Formula
C15H14N4O
SMILES
CCC1=C(N(C=N1)CC)OC2=CC(=CC(=C2)C#N)C#N
InChI
InChI=1S/C15H14N4O/c1-3-14-15(19(4-2)10-18-14)20-13-6-11(8-16)5-12(7-13)9-17/h5-7,10H,3-4H2,1-2H3
InChIKey
WMJPQWFJWDYUDG-UHFFFAOYSA-N
Compound name
5-(3,5-diethylimidazol-4-yl)oxybenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11676 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 164.1
[M+Na]+ 289.10598 174.4
[M-H]- 265.10948 166.2
[M+NH4]+ 284.15058 173.9
[M+K]+ 305.07992 169.4
[M+H-H2O]+ 249.11402 146.1
[M+HCOO]- 311.11496 175.3
[M+CH3COO]- 325.13061 225.6
[M+Na-2H]- 287.09143 163.9
[M]+ 266.11621 157.7
[M]- 266.11731 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.